1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine

C23H24FN5O — CID 42118166

IUPAC1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine
SMILESCOc1ccc(-n2cc(CNCc3cc(C)n(C)n3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H24FN5O/c1-16-11-20(26-28(16)2)14-25-13-18-15-29(21-7-9-22(30-3)10-8-21)27-23(18)17-5-4-6-19(24)12-17/h4-12,15,25H,13-14H2,1-3H3
InChIKeyHMWPJBJJSYLZBO-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.02
Rot. Bonds7

About 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine

1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine (PubChem CID 42118166) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine
PubChem CID42118166
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine
SMILESCOc1ccc(-n2cc(CNCc3cc(C)n(C)n3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H24FN5O/c1-16-11-20(26-28(16)2)14-25-13-18-15-29(21-7-9-22(30-3)10-8-21)27-23(18)17-5-4-6-19(24)12-17/h4-12,15,25H,13-14H2,1-3H3
InChIKeyHMWPJBJJSYLZBO-UHFFFAOYSA-N
XLogP4.02
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine (CID 42118166) is 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine is COc1ccc(-n2cc(CNCc3cc(C)n(C)n3)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is HMWPJBJJSYLZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16-11-20(26-28(16)2)14-25-13-18-15-29(21-7-9-22(30-3)10-8-21)27-23(18)17-5-4-6-19(24)12-17/h4-12,15,25H,13-14H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine?
1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 405.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 42118166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).